2pg2

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|PDB= 2pg2 |SIZE=350|CAPTION= <scene name='initialview01'>2pg2</scene>, resolution 1.849&Aring;
|PDB= 2pg2 |SIZE=350|CAPTION= <scene name='initialview01'>2pg2</scene>, resolution 1.849&Aring;
|SITE=
|SITE=
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|LIGAND= <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ADP:ADENOSINE-5&#39;-DIPHOSPHATE'>ADP</scene> and <scene name='pdbligand=K01:N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE'>K01</scene>
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|LIGAND= <scene name='pdbligand=ADP:ADENOSINE-5&#39;-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=K01:N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE'>K01</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>
|ACTIVITY=
|ACTIVITY=
|GENE= KIF11, EG5, KNSL1, TRIP5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
|GENE= KIF11, EG5, KNSL1, TRIP5 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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|DOMAIN=
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2pg2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pg2 OCA], [http://www.ebi.ac.uk/pdbsum/2pg2 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2pg2 RCSB]</span>
}}
}}
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Lee, T T.]]
[[Category: Lee, T T.]]
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[[Category: ADP]]
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[[Category: complex]]
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[[Category: K01]]
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[[Category: eg5]]
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[[Category: MG]]
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[[Category: inhibitor]]
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[[Category: kinesin spindle protein; ksp; eg5; complex; inhibitor; thiophene]]
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[[Category: kinesin spindle protein]]
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[[Category: ksp]]
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[[Category: thiophene]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 23 15:38:44 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:35:32 2008''

Revision as of 01:35, 31 March 2008

Image:2pg2.jpg


PDB ID 2pg2

Drag the structure with the mouse to rotate
, resolution 1.849Å
Ligands: , ,
Gene: KIF11, EG5, KNSL1, TRIP5 (Homo sapiens)
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 15


Overview

We have identified and synthesized a series of thiophene containing inhibitors of kinesin spindle protein. SAR studies led to the synthesis of 33, which was co-crystallized with KSP and determined to bind to an allosteric pocket previously described for other known KSP inhibitors.

About this Structure

2PG2 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors., Pinkerton AB, Lee TT, Hoffman TZ, Wang Y, Kahraman M, Cook TG, Severance D, Gahman TC, Noble SA, Shiau AK, Davis RL, Bioorg Med Chem Lett. 2007 Jul 1;17(13):3562-9. Epub 2007 Apr 29. PMID:17498954

Page seeded by OCA on Mon Mar 31 04:35:32 2008

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